AG0038DP

874290-63-8 | 2-Borono-5-fluorobenzoic acid

AG0038DP

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CAS Number	874290-63-8
Catalog Number	AG0038DP(AGN-PC-0786K4)
Chemical Name	2-Borono-5-fluorobenzoic acid
IUPAC Name	2-borono-5-fluorobenzoic acid
InChI	InChI=1S/C7H6BFO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key	FMVANIKYUYQABO-UHFFFAOYSA-N
MDL Number	MFCD08235078
Molecular Formula	C7H6BFO4
Molecular Weight	183.9295
SMILES	B(O)(O)C1=C(C(=O)O)C=C(C=C1)F
Synonyms	2-BORONO-5-FLUOROBENZOIC ACID, 874290-63-8, 2-Carboxy-4-fluorobenzeneboronic acid, 2-(dihydroxyboranyl)-5-fluorobenzoic acid, 2-CARBOXY-4-FLUOROPHENYLBORONIC ACID, AK-36647, ACMC-209qn1, SCHEMBL9937799, CTK3E6623, KS-00000HEL, DTXSID80660242, 2-borono-5-fluorophenylboronic acid, ACT11060, ZX-AP006883, 2-fluoro-4-carboxyphenylboronic acid, ANW-38795, FCH921348, MFCD08235078, PC5079, SBB090107, AKOS006346241, ZINC169745079, AB43739, CS-W017032, RTR-027455, 2-carboxy-4-fluorobenzeneboronicacid97%, AS-30548, BR-36647, QC-10922, 2-carboxy-4-fluorobenzeneboronic acid 97%, AB0029130, AX8158317, TR-027455, 4CH-007956, AM20060005, FT-0084678, FT-0647401, ST24027789, X1262, 2-(dihydroxyboranyl)-5-fluoranyl-benzoic acid, A-3895, A842209, I04-3629, C7H6BFO4, 2-BORONO-5-FLUOROBENZOICACID, ACN-032563,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	183.929g/mol
Monoisotopic Mass	184.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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